C270-0544 Screening compound: 3-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-1-(4-ethylphenyl)urea

C270-0544 Screening compound: 3-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-1-(4-ethylphenyl)urea
C270-0544 Screening compound: 3-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-1-(4-ethylphenyl)urea alternative view

Chemical Structure Depiction of ChemDiv screening compound C270-0544
3-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-1-(4-ethylphenyl)urea

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

C270-0544

Molecular Formula

C22H28ClN3O (C22 H28 ClN3 O)

Compound Name

3-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-1-(4-ethylphenyl)urea

IUPAC name

3-({1-[(3-chlorophenyl)methyl]piperidin-4-yl}methyl)-1-(4-ethylphenyl)urea

SMILES

CCc(cc1)ccc1NC(NCC1CCN(Cc2cccc(Cl)c2)CC1)=O

InChI

InChI=1S/C22H28ClN3O/c1-2-17-6-8-21(9-7-17)25-22(27)24-15-18-10-12-26(13-11-18)16-19-4-3-5-20(23)14-19/h3-9,14,18H,2,10-13,15-16H2,1H3,(H2,24,25,27)

InChI Key

MBDDHYNNSZBAEH-UHFFFAOYSA-N

MDL Number (MFCD)

MFCD14739889

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

385.94

Hydrogen Bond Acceptors Count

3.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

8.00

Number of Nitrogen and Oxygen Atoms

4

Partition Coefficient, logP

5.389

Distribution Coefficient, logD

3.573

Water Solubility, LogSw

-5.85

Polar Surface Area

37.596

Acid Dissociation Constant (pKa)

13.70

Base Dissociation Constant (pKb)

9.21

Number of Chiral Centers

0.00

Percent sp3 carbon bonding

40.90

C270-0544 in Drug Discovery

Included in Screening Libraries

3D-Biodiversity Library (27607 compounds)

CNS targets activity set (6557 compounds)

Neurotransmitter Transporter Inhibitors Library (11024 compounds)

Protein-Protein Interaction Library (218420 compounds)

Targeted Diversity Library (40567 compounds)

Voltage-Gated Ion Channel-Targeted Library (4740 compounds)

ChemoGenomic Annotated Library for Phenotypic Screening (89798 compounds)

Chemokine Receptor-Targeted Library (18382 compounds)

Target Identification, Phenotypic Screening library (TIPS) (27612 compounds)

Included in 1.7M Stock Database

Structure:
  • 3D
Therapeutical areas:
  • Nervous system
  • Nervous system
  • Immune system
Targets:
  • GPCR
  • Ion Channels
  • Ion Channels
Mechanism of action:
  • PPI modulators
  • Receptor's ligands

References: we are preparing a list of scientific research reports with C270-0544 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound C270-0544?
Check Price and Availability of C270-0544, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of C270-0544 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for C270-0544
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for C270-0544
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of C270-0544 available by request